Information card for entry 2243466

Structure parameters

• Common name: <i>N</i>-Ethyl-<i>N</i>-propyltryptammonium hydrofumarate
• Chemical name: [2-(1<i>H</i>-Indol-3-yl)ethyl](methyl)propylazanium 3-carboxyprop-2-enoate
• Formula: C19 H26 N2 O4
• Calculated formula: C19 H26 N2 O4
• Title of publication: DMT analogues: <i>N</i>-ethyl-<i>N</i>-propyltryptamine and <i>N</i>-allyl-<i>N</i>-methytryptamine as their hydrofumarate salts
• Authors of publication: Chadeayne, Andrew R.; Pham, Duyen N. K.; Golen, James A.; Manke, David R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 8
• Pages of publication: 1201 - 1205
• a: 7.4839 ± 0.0008 Å
• b: 14.1752 ± 0.0014 Å
• c: 9.6461 ± 0.001 Å
• α: 90°
• β: 110.537 ± 0.003°
• γ: 90°
• Cell volume: 958.28 ± 0.17 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297.15 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes